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Diffstat (limited to '5x_cv/csv/MDD_hybrid.csv')
| -rw-r--r-- | 5x_cv/csv/MDD_hybrid.csv | 1216 |
1 files changed, 0 insertions, 1216 deletions
diff --git a/5x_cv/csv/MDD_hybrid.csv b/5x_cv/csv/MDD_hybrid.csv deleted file mode 100644 index 2a8b7ee..0000000 --- a/5x_cv/csv/MDD_hybrid.csv +++ /dev/null @@ -1,1216 +0,0 @@ -SMILES,BCUTp-1h,BCUTc-1h,Weta2.unity,Wgamma3.unity,Wgamma1.unity,WD.unity,Wgamma2.unity,WG.unity,WT.unity,BCUTp-1l,BCUTc-1l,BCUTw-1h,Wlambda1.unity,Weta1.unity,WK.unity,BCUTw-1l,WA.unity,Wnu1.unity,Wlambda3.unity,WV.unity,Wnu2.unity,Wlambda2.unity,Weta3.unity -InChI%3D1S%2FC22H25N3O4S%2Fc1-2-29-22%2827%2923-16-7-8-20-18%2815-16%2925%2817-5-3-4-6-19%2817%2930-20%2921%2826%299-10-24-11-13-28-14-12-24%2Fh3-8%2C15H%2C2%2C9-14H2%2C1H3%2C%28H%2C23%2C27%29, 12.1683416366577, 0.298465102910995, , , , , , , , 4.86048936843872, -0.378539860248566, 31.9720726013184, , , , 11.9961414337158, , , , , , , -InChI%3D1S%2FC17H22NOS2.BrH%2Fc1-18%282%2911-13%2810-14%2812-18%2919-3%2917%2815-6-4-8-20-15%2916-7-5-9-21-16%3B%2Fh4-9%2C14H%2C10-12H2%2C1-3H3%3B1H%2Fq%2B1%3B%2Fp-1, 14.267162322998, 0.14795646071434, , , , , , , , 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